1.0 2010-04-08 22:11:54 UTC 2019-11-26 03:11:47 UTC FDB015540 4-Deoxycohumulone Bitter principle from hops (Humulus lupulus). 4-Deoxycohumulone is found in alcoholic beverages. 2,4-Bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-1,3,5-cyclohexanetrione, 9CI 2',4',6'-Trihydroxy-2-methyl-3',5'-bis(3-methyl-2-butenyl)propiophenone, 8CI 3,5-Bis(3-methyl-2-butenyl)phlorisobutyrophenone C20H28O4 332.4339 332.198759384 2-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]propan-1-one 2-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]propan-1-one 5880-42-2 CC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)=C1O InChI=1S/C20H28O4/c1-11(2)7-9-14-18(22)15(10-8-12(3)4)20(24)16(19(14)23)17(21)13(5)6/h7-8,13,22-24H,9-10H2,1-6H3 KKFIZYKKQLWBKH-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds Acylphloroglucinols and derivatives Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Organic oxides Phenylpropanes Polyols Vinylogous acids Acylphloroglucinol derivative Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenetriol Benzenoid Benzoyl Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Phenol Phenylpropane Phloroglucinol derivative Polyol Vinylogous acid logp 4.02 ALOGPS logs -3.61 ALOGPS solubility 8.08e-02 g/l ALOGPS melting_point Mp 88-89° logp 6.62 ChemAxon pka_strongest_acidic 7.64 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]propan-1-one ChemAxon average_mass 332.4339 ChemAxon mono_mass 332.198759384 ChemAxon smiles CC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)=C1O ChemAxon formula C20H28O4 ChemAxon inchi InChI=1S/C20H28O4/c1-11(2)7-9-14-18(22)15(10-8-12(3)4)20(24)16(19(14)23)17(21)13(5)6/h7-8,13,22-24H,9-10H2,1-6H3 ChemAxon inchikey KKFIZYKKQLWBKH-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 100.09 ChemAxon polarizability 38.55 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22642 Specdb::CMs 44935 Specdb::CMs 132941 Specdb::CMs 140675 Specdb::MsMs 57873 Specdb::MsMs 57874 Specdb::MsMs 57875 Specdb::MsMs 113679 Specdb::MsMs 113680 Specdb::MsMs 113681 Specdb::MsMs 2381198 Specdb::MsMs 2381199 Specdb::MsMs 2381200 Specdb::MsMs 2580678 Specdb::MsMs 2580679 Specdb::MsMs 2580680 HMDB36623 #<Reference:0x000055ce324c89d8> Alcoholic beverages Unknown generic